Details of the Drug

General Information of Drug (ID: DM1U7MC)

Drug Name

(S)-1,7-Diphenyl-6(E)-hepten-3-ol

Synonyms

CHEMBL461017; (S)-1,7-Diphenyl-6(E)-hepten-3-ol; (S)-1,7-diphenylhept-6-en-3-ol; BDBM50300189; (3S,6E)-1,7-Diphenyl-6-heptene-3-ol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

266.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H22O
IUPAC Name: (E,3S)-1,7-diphenylhept-6-en-3-ol
Canonical SMILES: C1=CC=C(C=C1)CC[C@H](CC/C=C/C2=CC=CC=C2)O
InChI: InChI=1S/C19H22O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13,19-20H,8,14-16H2/b13-7+/t19-/m0/s1
InChIKey: DPRCKWANIKZGTF-KRSRXSRCSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antiviral potential and molecular insight into neuraminidase inhibiting diarylheptanoids from Alpinia katsumadai. J Med Chem. 2010 Jan 28;53(2):778-86.